N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine

C17H23FN2 — CID 79097640

IUPACN-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCCNC(c1ccn(Cc2cccc(F)c2)c1)C(C)C
InChIInChI=1S/C17H23FN2/c1-4-19-17(13(2)3)15-8-9-20(12-15)11-14-6-5-7-16(18)10-14/h5-10,12-13,17,19H,4,11H2,1-3H3
InChIKeyYBJXDYBUDARVHM-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.98
Rot. Bonds6

About N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine

N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine (PubChem CID 79097640) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
PubChem CID79097640
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC NameN-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCCNC(c1ccn(Cc2cccc(F)c2)c1)C(C)C
InChIInChI=1S/C17H23FN2/c1-4-19-17(13(2)3)15-8-9-20(12-15)11-14-6-5-7-16(18)10-14/h5-10,12-13,17,19H,4,11H2,1-3H3
InChIKeyYBJXDYBUDARVHM-UHFFFAOYSA-N
XLogP3.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79108960
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79108322
N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79098566
N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097553
N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
CID 79097392
N-ethyl-2-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79108130
N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098074
N-ethyl-2-methyl-1-[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]propan-1-amine
CID 106705503
N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 112641722
N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79098824
1-[1-(cyclopentylmethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79097227
N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097991

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine (CID 79097640) is N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine is CCNC(c1ccn(Cc2cccc(F)c2)c1)C(C)C.
What is the InChIKey of N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The InChIKey is YBJXDYBUDARVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c1-4-19-17(13(2)3)15-8-9-20(12-15)11-14-6-5-7-16(18)10-14/h5-10,12-13,17,19H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine has a molecular weight of 274.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79097640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).